The 13C chemical shielding, 14N quadrupole and the dipolar tensors of the nitrile group in the hydrogen-bonded acetonitrile-H-ZSM-5 adsorption complex

Chemical Physics Letters

Volumn 262, Issue 3-4, 1996, Pages 321-328

  Šepa, Jelena ^a   Gorte, R J ^a   White, David ^a   Kassab, E ^b   Allavena, M ^b  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

^b LABORATOIRE DE CHIMIE THÉORIQUE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0030588915     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/0009-2614(96)01086-X     Document Type: Article

References (33)

1. [1] M.T. Aronson, R.J. Gone and W.E. Farneth, J. Catal. 98 (1986) 434.
2. [2] A.I. Biaglow, R.J. Gorte and D. White, J. Phys. Chem. 97 (1993) 7135.
3. [3] V. Bosacek and L. Kubelkova, Zeolites 10 (1990) 64.
4. [4] A.G. Pelmenschikov, R.A. van Santen, J. Janchen and E. Meijer, J. Phys. Chem. 97 (1993) 11071.
5. [5] W.E. Farneth and R.J. Gorte, Chem. Rev. 95 (1995) 615.
6. [6] J. Sauer, P. Ugliengo, E. Garrone and U.R. Saunders, Chem. Rev. 94 (1994) 2095, and references therein.
7. [7] E. Nusterer, P.E. Blöchl and K. Schwarz, Angew. Chem. Intern. Ed. 35 (1996) 175.
8. [8] R. Shah, M.C. Payne, M.H. Lee and J.D. Gale, Science 271 (1996) 1395.
9. [9] A.I. Biaglow, J. Šepa, R.J. Gorte and D. White, J. Catal. 151 (1995) 373.
10. [10] T. Xu, E.J. Munson and J.F. Haw, J. Am. Chem. Soc. 116 (1994) 1962.
11. [11] A. Biaglow, R.J. Gorte, G.T. Kokotailo and D. White, J. Catal. 148 (1994) 779.
12. [12] J. Šepa, C. Lee, R.J. Gorte, D. White, E. Kassab, E.M. Evleth, H. Jessri and M. Allavena, J. Phys. Chem., to be published.
13. [13] G. Wu, M.D. Lumsden, G.C. Ossenkamp, K. Eichele and R.E. Washylishen, J. Phys. Chem. 99 (1995) 15806.
14. [14] M.E. Stoll, R.W. Vaughan, R.B. Saillant and T. Cole, J. Chem. Phys. 61 (1974) 2896.
15. [15] J.G. Hexam, M.H. Frey and S.J. Opella, J. Chem. Phys. 77 (1982) 3847.
16. [16] B.H. Suits, J. Šepa and D. White, J. Magn. Reson. A 120 (1996) 88.
17. [17] J. Šepa, R.J. Gorte, B.H. Suits and D. White, Chem. Phys. Lett. 252 (1996) 281.
18. [18] T.J.G. Kofke, R.J. Gorte and W.E. Farneth, J. Catal. 114 (1988) 34.
19. [19] A.I. Biaglow, Ph.D. Thesis, University of Pennsylvania (1993).
20. [20] K.R. Carduner, M. Villa and D. White, Rev. Sci. Istrum. 55 (1984) 68.
21. [21] A. Pines, M.G. Gibby and J.S. Waugh, J. Chem. Phys. 59 (1973) 569.
22. [22] J.F. Haw, M.B. Hall, A.E. Alvaradoswaisgood, E.J. Munson, Z.Y. Lin, L.W. Beck and T. Howard, J. Am. Chem. Soc. 116 (1994) 7308.
23. [23] D. Suwelack, W.P. Rothwell and J.S. Waugh, J. Chem. Phys. 73 (1980) 2559.
24. [24] L.E. Drain, Proc. Phys. Soc. 80 (1962) 1380; D.C. Ailion, T.A. Case, D.D. Blatter, A.H. Morris, A.G. Cutillo, C.H. Durney and S.A. Johnson, Bull. Magn. Reson. 6, No. 3 (1984) 130.
25. [24] L.E. Drain, Proc. Phys. Soc. 80 (1962) 1380; D.C. Ailion, T.A. Case, D.D. Blatter, A.H. Morris, A.G. Cutillo, C.H. Durney and S.A. Johnson, Bull. Magn. Reson. 6, No. 3 (1984) 130.
26. [25] U. Schwerk, D. Michael and M. Pruski, J. Magn. Reson. A 119 (1996) 157.
27. [26] A.R. Edmonds, Angular momentum in quantum mechanics (Princeton Univ. Press, Princeton, 1960) p. 7.
28. [27] C.J. Jameson, A.K. Jameson, D. Oppusunggu and W. Wille, J. Chem. Phys. 76 (1982) 152.
29. [28] J. Florian and L. Kubelkova, J. Phys. Chem. 98 (1994) 8734.
30. [29] M.J. Frisch, G.W. Trucks, H.B. Schlegal, R.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Peterson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Preplogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. DeFrees, J. Baker, J.J.P. Stewart, M. Head-Gordon, C. Gonzalez and J.A. Pople, GAUSSIAN 94, Revision B. 1, (Gaussian, Inc., Pittsburgh, PA, 1995).
31. [30] P. Pulay et al., TEXAS 90 program description, Department of Chemistry, University of Arkansas, Fayetteville, AR 72711.
32. [31] M.H. Palmer, Chem. Phys. 127 (1988) 335
33. [32] G. Wu, S. Kroeker and R.E. Wasylishen, Inorg. Chem. 34 (1995) 1595, and references therein.